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Computational Approaches to Materials Design: Theoretical and Practical Aspects [Kõva köide]

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"This book brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials, highlighting optimization tools and soft computing methods"--

Contributors in a wide range of fields explore computational approaches to designing new material that have become possible with growing awareness of the correlation between a material's composition, microstructure, process, and property and between the electronic, atomic, and microstructural scales. Among their topics are ab initio-based stochastic simulations of kinetic processes on surfaces, micro-mechanical and finite element modeling for composites, imprecise knowledge and fuzzy modeling in materials domain, artificial neural network and its application in the steel industry, and modeling steel making processes. Annotation ©2016 Ringgold, Inc., Portland, OR (protoview.com)

The development of new and superior materials is beneficial within industrial settings, as well as a topic of academic interest. By using computational modeling techniques, the probable application and performance of these materials can be easily evaluated. Computational Approaches to Materials Design: Theoretical and Practical Aspects brings together empirical research, theoretical concepts, and the various approaches in the design and discovery of new materials. Highlighting optimization tools and soft computing methods, this publication is a comprehensive collection for researchers, both in academia and in industrial settings, and practitioners who are interested in the application of computational techniques in the field of materials engineering.
Preface xv
Chapter 1 Computational Materials Design: Different Concepts and Aspects
1(12)
Shubhabrata Datta
Bishnupada Roy
J. Paulo Davim
Chapter 2 Successive Spin-Correlated Local Processes Underlying the Magnetism in Diluted Magnetic Semiconductors and Related Magnetic Materials
13(15)
Antonis N. Andriotis
Madhu Menon
Chapter 3 Ab Initio-Based Stochastic Simulations of Kinetic Processes on Surfaces
28(33)
Zhengzheng Chen
Chao Wu
Chapter 4 Computational Design of Microstructure: An Overview
61(40)
G. Anand
P. P. Chattopadhyay
Chapter 5 Micromechanical and Finite Element Modeling for Composites
101(62)
Ankur Kumar Gupta
Arjun Dey
Anoop Kumar Mukhopadhyay
Chapter 6 Integrated Computational Materials Engineering for Determining the Set Points of Unit Operations for Production of a Steel Product Mix
163(29)
Rishabh Shukla
Ravikiran Anapagaddi
Amarendra K. Singh
Janet K. Allen
Jitesh H. Panchal
Farrokh Mistree
Chapter 7 Informatics-Based Approaches for Accelerated Discovery of Functional Materials
192(32)
P. V. Balachandran
J. M. Rondinelli
Chapter 8 Applications of Feature Selection and Regression Techniques in Materials Design: A Tutorial
224(28)
Partha Dey
Joe Bible
Swati Dey
Somnath Datta
Chapter 9 Imprecise Knowledge and Fuzzy Modeling in Materials Domain
252(15)
Subhas Ganguly
Shubhabrata Datta
Chapter 10 Artificial Neural Network and Its Application in Steel Industry
267(34)
Itishree Mohanty
Dabashish Bhattacherjee
Chapter 11 Multi-Objective Evolutionary Algorithms: Application in Designing Particle Reinforced Mould Materials
301(45)
A. K. Nandi
K. Deb
Chapter 12 Data-Driven Bi-Objective Genetic Algorithms EvoNN and BioGP and Their Applications in Metallurgical and Materials Domain
346(23)
Nirupam Chakraborti
Chapter 13 Modeling of Steelmaking Processes
369(53)
Seppo Louhenkilpi
Subhas Ganguly
Compilation of References 422(45)
About the Contributors 467(7)
Index 474
Shubhabrata Datta, B.U. Institute of Engineering, India.

J. Paulo Davim, University of Aveiro, Portugal.